1-(3-cyclobutylphenyl)-2-methylhexan-1-ol

C17H26O — CID 114247202

IUPAC1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H26O/c1-3-4-7-13(2)17(18)16-11-6-10-15(12-16)14-8-5-9-14/h6,10-14,17-18H,3-5,7-9H2,1-2H3
InChIKeyDCXJSVYHXUVTQB-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.81
Rot. Bonds6

About 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol

1-(3-cyclobutylphenyl)-2-methylhexan-1-ol (PubChem CID 114247202) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
PubChem CID114247202
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H26O/c1-3-4-7-13(2)17(18)16-11-6-10-15(12-16)14-8-5-9-14/h6,10-14,17-18H,3-5,7-9H2,1-2H3
InChIKeyDCXJSVYHXUVTQB-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclobutylphenyl)nonylhydrazine
CID 105342031
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
2-[(3-cyclopropylphenyl)-hydroxymethyl]pentanoic acid
CID 83042366

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol (CID 114247202) is 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol is CCCCC(C)C(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol?
The InChIKey is DCXJSVYHXUVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-7-13(2)17(18)16-11-6-10-15(12-16)14-8-5-9-14/h6,10-14,17-18H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol?
1-(3-cyclobutylphenyl)-2-methylhexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylhexan-1-ol is sourced from PubChem (CID 114247202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).